2-bromo-6-nitropyridine

• ChemBase ID: 67346
• Molecular Formular: C5H3BrN2O2
• Molecular Mass: 202.99352
• Monoisotopic Mass: 201.93778935
• SMILES: c1(cccc(n1)[N+](=O)[O-])Br
• Canonical SMILES: Brc1cccc(n1)[N+](=O)[O-]
• InChI: InChI=1S/C5H3BrN2O2/c6-4-2-1-3-5(7-4)8(9)10/h1-3H
• InChIKey: JULQLOHNPMMKTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-nitropyridine
• IUPAC Traditional name: 2-bromo-6-nitropyridine
• Synonyms: 2-Bromo-6-nitropyridine

Database IDs

• CAS Number: 21203-78-1
• MDL Number: MFCD00234012
• PubChem SID: 162033081
• PubChem CID: 1415846

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2642899
• LogD (pH = 7.4): 2.2642899
• Log P: 2.2642899
• Molar Refractivity: 39.0001 cm^3
• Polarizability: 14.482051 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%